Considering the exsolution process in ceria doped with transition metals - combining experiment with DFT calculations

Ceria-based compounds are known to play a significant role in electrochemical devices. They have been reported as capable of exsolving metallic nanoparticles to the surface of their grains. These nanoparticles can act as catalytic centres for electrochemical reactions, then we can expect even more efficient operation of SOFC cells modified in this way. However, the exsolution in fluorite structures has not been deeply investigated. Almost all of the papers related to this process refer to perovskite structures. Therefore, the aim of this project is to make a systematic analysis of ceria doped with different transition metals (e.g. Co, Cu, Fe, Mn, Ni) and to determine the influence of temperature and time of reduction in hydrogen on the final exsolution process. The measurements of X-ray absorption will reveal the local structure and valence state of the elements, simultaneously providing a valuable set of data for DFT calculations of these structures.